N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C24H21FN4O2S — CID 66819670

IUPACN-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(=O)CC4)c(F)c3)cc12
InChIInChI=1S/C24H21FN4O2S/c1-15-19-14-22(32-24(19)29(27-15)17-5-3-2-4-6-17)23(31)26-16-7-8-21(20(25)13-16)28-11-9-18(30)10-12-28/h2-8,13-14H,9-12H2,1H3,(H,26,31)
InChIKeySKVYBOSDQQFGCD-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.96
Rot. Bonds4

About N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 66819670) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID66819670
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(=O)CC4)c(F)c3)cc12
InChIInChI=1S/C24H21FN4O2S/c1-15-19-14-22(32-24(19)29(27-15)17-5-3-2-4-6-17)23(31)26-16-7-8-21(20(25)13-16)28-11-9-18(30)10-12-28/h2-8,13-14H,9-12H2,1H3,(H,26,31)
InChIKeySKVYBOSDQQFGCD-UHFFFAOYSA-N
XLogP4.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819696
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819615
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201
3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819584
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 5019286

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 66819670) is N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(=O)CC4)c(F)c3)cc12.
What is the InChIKey of N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SKVYBOSDQQFGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-15-19-14-22(32-24(19)29(27-15)17-5-3-2-4-6-17)23(31)26-16-7-8-21(20(25)13-16)28-11-9-18(30)10-12-28/h2-8,13-14H,9-12H2,1H3,(H,26,31).
What are the key properties of N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 66819670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).